4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)butanoic acid

Modify Date: 2025-08-21 17:46:52

4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)butanoic acid Structure
4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)butanoic acid structure
Common Name 4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)butanoic acid
CAS Number 3130-75-4 Molecular Weight 233.220
Density 1.4±0.1 g/cm3 Boiling Point 442.1±28.0 °C at 760 mmHg
Molecular Formula C12H11NO4 Melting Point 119-121ºC
MSDS N/A Flash Point 221.2±24.0 °C

 Use of 4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)butanoic acid


4-(N-Phthalimidoyl)butanoic acid (compound FB) is a hapten with a carboxyl group at the end of its spacer arm, suitable for reacting with free amine groups of proteins. 4-(N-Phthalimidoyl)butanoic acid can be combined with carrier proteins and used in antigen design[1].

 Names

Name 4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl) butanoic acid
Synonym More Synonyms

  Biological Activity

Description 4-(N-Phthalimidoyl)butanoic acid (compound FB) is a hapten with a carboxyl group at the end of its spacer arm, suitable for reacting with free amine groups of proteins. 4-(N-Phthalimidoyl)butanoic acid can be combined with carrier proteins and used in antigen design[1].
Related Catalog
References

[1]. Mercader JV, et al. Development of monoclonal ELISAs for azinphos-methyl. 1. Hapten synthesis and antibody production. J Agric Food Chem. 1999 Mar;47(3):1276-84.  

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 442.1±28.0 °C at 760 mmHg
Melting Point 119-121ºC
Molecular Formula C12H11NO4
Molecular Weight 233.220
Flash Point 221.2±24.0 °C
Exact Mass 233.068802
PSA 74.68000
LogP 1.58
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.605
InChIKey HMKSXJBFBVGLJJ-UHFFFAOYSA-N
SMILES O=C(O)CCCN1C(=O)c2ccccc2C1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NR3459000
CHEMICAL NAME :
2-Isoindolinebutyric acid, 1,3-dioxo-
CAS REGISTRY NUMBER :
3130-75-4
BEILSTEIN REFERENCE NO. :
0208243
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H11-N-O4
MOLECULAR WEIGHT :
233.24
WISWESSER LINE NOTATION :
T56 BVNVJ C3VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
327 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 27,805,1989 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
400 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 28,680,1973

 Safety Information

Hazard Codes Xi: Irritant;
HS Code 2925190090

 Synthetic Route

 Customs

HS Code 2925190090
Summary 2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Bioassay

View more

Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
Name: Hypolipidemic activity (14th day serum triglyceride) at 20 mg/kg in CF1 male mice
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL731617
Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
Name: Hypolipidemic activity (9th day serum cholesterol) at 20 mg/kg in CF1 male mice
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL731619
Name: Hypolipidemic activity (16th day serum cholesterol) at 20 mg/kg in CF1 male mice
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL731618
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 Synonyms

MFCD00196079
4-(1,3-dioxoisoindol-2-yl)butanoic acid
4-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BUTANOIC ACID
4-Phthalimidobutyric Acid
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